N-(2,3-dimethylpentyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Basic information
- CAS
55396-76-4- Standard SMILES
CCC(C)C(C)CNC12CN3CN(CN(C3)C1)C2- InChIKey
VLWMJPRUQZJNPE-UHFFFAOYSA-N- Molecular formula
- C14H28N4
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.23139691
Names & identifiers
- Preferred name
- N-(2,3-dimethylpentyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
- IUPAC
- N-(2,3-dimethylpentyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Names & synonyms
NSC28171155396-76-4DTXSID20330593NSC-281711N-(2,3-Dimethylpentyl)-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine
Database identifiers
- CAS
55396-76-4- PubChem CID
- 430744
- DTXSID
DTXSID20330593
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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